5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide

C12H10F3N3O — CID 57459001

IUPAC5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1C(N)=O
InChIInChI=1S/C12H10F3N3O/c1-6-9(11(16)19)10(18-17-6)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3,(H2,16,19)(H,17,18)
InChIKeyJYFPNFLMBUSILF-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.50
Rot. Bonds2

About 5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide

5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 57459001) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID57459001
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1C(N)=O
InChIInChI=1S/C12H10F3N3O/c1-6-9(11(16)19)10(18-17-6)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3,(H2,16,19)(H,17,18)
InChIKeyJYFPNFLMBUSILF-UHFFFAOYSA-N
XLogP2.50
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 3116416
3-(2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 53017439
3-(4-methylphenyl)-1H-pyrazole-5-carbohydrazide
CID 701924
3-(4-Methylphenyl)-1H-pyrazole-4-carboxaldehyde
CID 2760667
6-(4-fluorophenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 6472978
3-(2,4-difluorophenyl)-1H-pyrazole-5-carbohydrazide
CID 24178172
3-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one
CID 4080514
Ketone, 4-amino-5-phenyl-3-pyrazolyl methyl
CID 13303397
3-[4-(Trifluoromethyl)phenyl]-1H-pyrazole-4-carbaldehyde
CID 2781846
3-cyclopropyl-N'-[(E)-1-(4-methylphenyl)ethylidene]-1H-pyrazole-5-carbohydrazide
CID 5342919
3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738012
3-(4-ethylphenyl)-1H-pyrazole-4-carbaldehyde
CID 776527

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide (CID 57459001) is 5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide is Cc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1C(N)=O.
What is the InChIKey of 5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is JYFPNFLMBUSILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c1-6-9(11(16)19)10(18-17-6)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3,(H2,16,19)(H,17,18).
What are the key properties of 5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 269.23 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 57459001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).